#------------------------------------------------------------------------------
#$Date: 2018-02-21 09:12:39 +0200 (Wed, 21 Feb 2018) $
#$Revision: 206531 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/23/2242391.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2242391
_cell_angle_alpha                85.408
_cell_angle_beta                 69.978
_cell_angle_gamma                64.097
_cell_length_a                   8.8870
_cell_length_b                   9.4600
_cell_length_c                   11.2140
_exptl_crystal_F_000             366.00
_reflns_d_resolution_high        0.7669
_cod_data_source_file            vm22081sup2.hkl
_cod_data_source_block           1
_shelx_title                     ' dtra183_p1 in P1                 New: P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            116.53
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 1558.42 1596.21 31.18 o
3 0 0 244.29 323.41 23.53 o
4 0 0 4352.97 4223.60 68.56 o
5 0 0 1211.72 1123.00 35.58 o
6 0 0 2006.21 1926.26 47.81 o
7 0 0 0.47 22.06 21.12 o
8 0 0 277.87 264.02 48.07 o
9 0 0 1.29 -48.79 48.79 o
-9 1 0 9.54 -17.75 51.68 o
-8 1 0 0.35 -30.02 43.16 o
-7 1 0 176.55 190.18 26.33 o
-6 1 0 1568.77 1606.85 48.43 o
-5 1 0 360.16 353.81 23.04 o
-4 1 0 93.07 95.45 15.51 o
-3 1 0 433.07 351.71 23.55 o
-2 1 0 2450.17 2443.54 42.54 o
-1 1 0 4827.04 4949.37 70.05 o
2 1 0 415.41 433.54 29.62 o
3 1 0 3074.75 3288.76 36.03 o
4 1 0 5584.28 5455.16 56.90 o
5 1 0 2176.35 2116.61 29.00 o
6 1 0 55.91 78.59 24.90 o
7 1 0 114.45 135.04 21.04 o
8 1 0 251.08 257.52 48.36 o
9 1 0 84.34 113.17 51.24 o
10 1 0 35.01 12.56 58.46 o
-8 2 0 307.56 315.84 56.15 o
-7 2 0 398.65 429.82 34.59 o
-6 2 0 2164.68 2071.12 57.37 o
-5 2 0 11.95 15.80 18.22 o
-4 2 0 305.27 333.67 25.19 o
-3 2 0 1703.91 1736.52 39.57 o
-2 2 0 8641.85 8799.71 124.53 o
-1 2 0 4427.76 4495.62 90.80 o
0 2 0 769.88 821.66 17.85 o
1 2 0 3477.12 3595.58 51.83 o
2 2 0 6690.26 7932.19 299.31 o
3 2 0 2404.55 2708.42 31.34 o
4 2 0 6100.19 6285.56 64.24 o
5 2 0 1743.20 1594.87 24.65 o
6 2 0 934.81 934.65 21.45 o
7 2 0 378.72 394.07 19.09 o
8 2 0 482.95 493.53 51.68 o
9 2 0 235.82 255.79 55.43 o
10 2 0 1.39 -33.49 54.13 o
-8 3 0 357.73 269.21 55.00 o
-7 3 0 203.17 221.79 32.48 o
-6 3 0 769.54 781.28 78.17 o
-5 3 0 15.98 20.51 21.38 o
-4 3 0 2511.63 2538.03 55.89 o
-3 3 0 328.92 317.98 30.82 o
-2 3 0 3962.96 3915.74 64.88 o
-1 3 0 1696.94 1619.91 20.49 o
0 3 0 4489.99 5135.42 58.90 o
1 3 0 1882.87 1968.30 34.52 o
2 3 0 13229.81 13322.44 240.05 o
3 3 0 1420.59 1420.31 21.46 o
4 3 0 1432.55 1565.00 23.85 o
5 3 0 915.24 920.70 20.04 o
6 3 0 1570.20 1500.39 25.99 o
7 3 0 4.50 -12.63 14.32 o
8 3 0 486.04 496.08 34.76 o
9 3 0 490.62 506.96 59.47 o
10 3 0 40.78 38.83 55.00 o
-7 4 0 73.79 49.08 45.33 o
-6 4 0 47.98 17.65 27.70 o
-5 4 0 115.61 91.59 26.07 o
-4 4 0 985.22 986.20 49.73 o
-3 4 0 1328.28 1460.20 42.00 o
-2 4 0 1339.68 1416.12 25.92 o
-1 4 0 2.03 -8.23 8.52 o
0 4 0 3256.42 3301.87 41.62 o
1 4 0 1738.31 1924.65 36.69 o
2 4 0 1927.71 1812.46 35.65 o
3 4 0 1821.73 1716.25 35.68 o
4 4 0 511.69 513.87 17.10 o
5 4 0 1416.64 1469.83 28.44 o
6 4 0 1299.14 1296.86 25.68 o
7 4 0 526.55 538.36 25.95 o
8 4 0 39.70 61.56 18.61 o
9 4 0 184.28 168.99 30.47 o
10 4 0 50.88 23.96 52.69 o
-6 5 0 841.71 816.99 60.74 o
-5 5 0 331.48 308.41 25.09 o
-4 5 0 2128.53 2141.03 41.35 o
-3 5 0 46.28 51.64 14.25 o
-2 5 0 10.47 -0.75 11.13 o
-1 5 0 44.97 37.94 9.86 o
0 5 0 7545.08 9427.02 430.96 o
1 5 0 1481.55 1373.38 32.66 o
2 5 0 803.24 767.88 26.82 o
3 5 0 461.09 415.35 26.27 o
4 5 0 810.09 789.44 18.89 o
5 5 0 841.62 733.16 20.38 o
6 5 0 1358.77 1333.43 60.59 o
7 5 0 388.15 451.92 22.19 o
8 5 0 74.55 97.14 19.93 o
9 5 0 19.01 17.04 20.99 o
10 5 0 109.67 115.49 33.92 o
-6 6 0 484.93 436.53 81.49 o
-5 6 0 306.44 307.45 27.89 o
-4 6 0 349.70 309.24 24.31 o
-3 6 0 224.37 194.76 19.88 o
-2 6 0 586.18 607.69 59.98 o
-1 6 0 982.70 1104.81 25.72 o
0 6 0 1785.64 3321.15 49.90 o
2 6 0 2.91 16.24 15.16 o
3 6 0 109.17 105.84 16.29 o
4 6 0 2623.35 2596.79 39.38 o
5 6 0 2137.28 2106.55 31.79 o
6 6 0 87.77 78.17 16.09 o
7 6 0 1164.03 1160.84 36.20 o
8 6 0 8.73 7.53 19.21 o
9 6 0 82.66 96.28 22.89 o
10 6 0 104.06 109.21 36.38 o
-5 7 0 111.28 116.13 32.52 o
-4 7 0 1.82 -5.20 35.08 o
-3 7 0 9.19 -14.58 32.19 o
-2 7 0 1394.10 1439.89 64.67 o
-1 7 0 1560.54 1493.53 73.19 o
0 7 0 272.87 371.40 25.69 o
1 7 0 66.73 64.30 18.31 o
2 7 0 850.60 1055.63 46.62 o
3 7 0 834.27 834.33 36.81 o
4 7 0 894.28 854.03 32.59 o
5 7 0 960.52 974.74 24.14 o
6 7 0 55.67 53.30 16.82 o
7 7 0 0.50 -9.01 18.12 o
8 7 0 95.70 71.26 21.05 o
9 7 0 284.99 326.33 27.06 o
10 7 0 22.56 49.76 25.59 o
-4 8 0 300.00 253.62 45.76 o
-3 8 0 60.06 42.44 37.24 o
-2 8 0 1310.04 1334.66 69.43 o
-1 8 0 875.72 1028.78 62.79 o
0 8 0 86.71 105.46 21.02 o
1 8 0 136.93 184.06 62.94 o
2 8 0 2173.47 2769.98 57.26 o
3 8 0 1114.19 1274.94 41.59 o
4 8 0 1203.87 1104.92 40.66 o
5 8 0 827.53 777.79 38.00 o
6 8 0 192.02 147.11 25.69 o
7 8 0 21.14 17.76 25.11 o
8 8 0 285.66 248.84 30.01 o
9 8 0 544.62 573.45 37.82 o
10 8 0 0.99 78.06 32.14 o
-3 9 0 382.91 336.05 49.22 o
-2 9 0 312.23 189.96 42.29 o
-1 9 0 155.12 168.74 41.43 o
0 9 0 391.18 346.01 40.85 o
1 9 0 248.16 303.51 26.43 o
2 9 0 221.50 273.18 26.17 o
3 9 0 1241.03 1530.39 68.85 o
4 9 0 3.31 7.45 25.98 o
5 9 0 68.69 53.45 32.48 o
6 9 0 216.87 198.06 33.34 o
7 9 0 575.43 580.19 35.15 o
8 9 0 59.46 41.06 28.05 o
9 9 0 307.26 288.83 34.18 o
10 9 0 0.73 -6.05 31.95 o
-1 10 0 18.51 40.56 42.15 o
0 10 0 330.59 223.31 43.45 o
1 10 0 673.48 629.22 50.81 o
2 10 0 360.35 325.58 32.77 o
3 10 0 261.29 218.36 28.25 o
4 10 0 70.84 108.93 27.06 o
5 10 0 102.58 122.88 26.97 o
6 10 0 246.73 256.69 30.14 o
7 10 0 896.03 942.26 50.91 o
8 10 0 15.14 -4.89 29.42 o
9 10 0 4.49 -25.50 38.18 o
0 11 0 561.48 496.56 56.30 o
1 11 0 662.54 602.80 54.28 o
2 11 0 4.13 11.37 26.73 o
3 11 0 130.19 129.41 29.19 o
4 11 0 314.70 318.27 32.07 o
5 11 0 322.32 298.18 47.78 o
6 11 0 7.98 -2.50 41.64 o
7 11 0 173.44 187.71 32.62 o
8 11 0 0.80 -27.18 60.84 o
3 12 0 75.84 45.89 30.44 o
4 12 0 74.07 92.92 31.23 o
5 12 0 398.95 403.80 65.46 o
6 12 0 11.55 28.92 51.39 o
-6 -12 1 95.00 72.27 33.32 o
-5 -12 1 1012.54 996.83 55.62 o
-4 -12 1 228.60 260.60 34.47 o
-3 -12 1 146.30 139.86 59.62 o
-8 -11 1 43.33 41.68 41.28 o
-7 -11 1 553.36 493.06 43.88 o
-6 -11 1 126.51 120.18 32.70 o
-5 -11 1 604.79 585.04 53.19 o
-4 -11 1 142.59 149.20 30.09 o
-3 -11 1 135.85 116.14 32.12 o
-2 -11 1 68.56 71.49 46.70 o
-1 -11 1 489.69 435.36 50.38 o
0 -11 1 318.49 281.19 51.68 o
-9 -10 1 12.44 18.12 31.98 o
-8 -10 1 39.17 3.86 29.59 o
-7 -10 1 736.02 701.32 57.74 o
-6 -10 1 1044.42 1047.20 50.73 o
-5 -10 1 304.96 321.50 30.96 o
-4 -10 1 3.66 15.17 28.44 o
-3 -10 1 299.33 323.84 38.04 o
-2 -10 1 443.07 377.68 30.45 o
-1 -10 1 641.89 659.65 38.58 o
0 -10 1 488.81 425.40 47.49 o
1 -10 1 107.12 132.22 43.45 o
-9 -9 1 425.33 369.60 36.02 o
-8 -9 1 22.89 40.88 28.51 o
-7 -9 1 478.84 464.67 34.00 o
-6 -9 1 174.41 148.90 26.96 o
-5 -9 1 55.82 70.24 19.28 o
-4 -9 1 21.35 5.11 23.27 o
-3 -9 1 1708.11 1712.62 49.71 o
-2 -9 1 653.73 618.32 34.61 o
-1 -9 1 207.91 175.71 25.26 o
0 -9 1 392.74 356.44 28.12 o
1 -9 1 236.01 188.38 41.86 o
2 -9 1 102.70 116.63 41.43 o
3 -9 1 106.34 32.62 40.71 o
-10 -8 1 13.78 42.68 48.57 o
-9 -8 1 620.75 577.94 68.35 o
-8 -8 1 551.00 522.38 34.91 o
-7 -8 1 197.45 151.43 46.70 o
-6 -8 1 311.66 285.13 27.76 o
-5 -8 1 958.81 916.27 32.48 o
-4 -8 1 895.93 839.17 37.75 o
-3 -8 1 1073.57 1029.29 39.61 o
-2 -8 1 1702.31 1653.68 45.57 o
-1 -8 1 28.38 79.40 20.97 o
0 -8 1 105.23 108.98 21.59 o
1 -8 1 1286.55 1288.90 66.40 o
2 -8 1 774.88 729.11 61.20 o
3 -8 1 119.60 153.59 39.98 o
4 -8 1 181.44 191.41 42.44 o
-10 -7 1 98.80 112.18 26.85 o
-9 -7 1 501.82 512.59 29.36 o
-8 -7 1 174.54 141.87 21.80 o
-7 -7 1 68.05 53.17 22.89 o
-6 -7 1 8.06 -7.72 16.51 o
-5 -7 1 2585.68 2437.05 43.38 o
-4 -7 1 1153.16 1155.18 43.74 o
-3 -7 1 447.42 454.45 24.09 o
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0 -7 1 430.18 437.10 26.81 o
1 -7 1 320.32 367.18 22.80 o
2 -7 1 723.92 742.82 52.83 o
3 -7 1 0.34 -0.29 30.46 o
4 -7 1 6.39 4.19 34.79 o
5 -7 1 52.19 54.66 31.04 o
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2 -6 1 640.46 679.39 31.32 o
3 -6 1 96.97 145.47 22.41 o
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5 -6 1 125.50 127.72 29.60 o
6 -6 1 249.95 178.48 33.62 o
-10 -5 1 361.87 362.28 38.43 o
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-5 -5 1 722.73 764.86 21.85 o
-4 -5 1 693.98 657.07 21.56 o
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1 -5 1 0.98 50.73 10.77 o
2 -5 1 2.34 40.21 11.54 o
3 -5 1 65.42 92.70 20.05 o
4 -5 1 1023.18 1063.78 35.44 o
5 -5 1 186.33 161.79 22.45 o
6 -5 1 94.99 79.96 23.18 o
7 -5 1 15.65 21.28 25.01 o
-10 -4 1 115.35 34.21 54.42 o
-9 -4 1 253.27 279.44 33.05 o
-8 -4 1 38.60 40.92 19.11 o
-7 -4 1 2017.20 1942.84 40.44 o
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-5 -4 1 9.60 15.06 10.60 o
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-3 -4 1 3251.35 3192.97 37.14 o
-2 -4 1 5084.42 5207.21 76.92 o
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0 -4 1 1965.81 1872.92 38.69 o
1 -4 1 271.63 240.49 17.66 o
2 -4 1 181.55 202.31 12.69 o
3 -4 1 990.68 982.73 42.58 o
4 -4 1 1885.05 2130.74 70.44 o
5 -4 1 44.13 46.34 31.32 o
6 -4 1 82.64 79.39 37.68 o
7 -4 1 10.94 19.05 42.01 o
-10 -3 1 35.62 44.60 58.46 o
-9 -3 1 438.79 400.71 58.61 o
-8 -3 1 981.01 885.99 69.07 o
-7 -3 1 1086.15 1071.62 31.78 o
-6 -3 1 1063.97 1054.74 24.35 o
-5 -3 1 1992.44 2003.61 29.70 o
-4 -3 1 2386.29 2447.10 31.93 o
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-2 -3 1 8220.06 8420.65 81.71 o
-1 -3 1 359.22 346.00 25.04 o
0 -3 1 1579.65 1833.89 32.91 o
1 -3 1 3422.02 3696.51 39.78 o
2 -3 1 3487.28 3420.51 76.51 o
3 -3 1 706.60 704.03 27.73 o
4 -3 1 1413.76 1301.59 40.27 o
5 -3 1 72.03 93.29 21.62 o
6 -3 1 473.69 485.16 44.89 o
7 -3 1 2.25 -3.90 38.40 o
8 -3 1 57.29 17.18 45.47 o
-10 -2 1 154.14 160.95 63.80 o
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-7 -2 1 557.42 536.32 32.04 o
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-5 -2 1 421.67 354.24 14.71 o
-4 -2 1 3810.67 3776.69 42.97 o
-3 -2 1 354.83 345.22 14.85 o
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1 -2 1 922.77 868.24 14.93 o
2 -2 1 7033.72 7254.85 103.75 o
3 -2 1 228.10 236.46 18.62 o
4 -2 1 12.13 12.92 14.51 o
5 -2 1 81.06 92.95 18.98 o
6 -2 1 734.67 721.52 40.22 o
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8 -2 1 212.49 275.42 50.52 o
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8 -1 1 2.93 -28.73 39.55 o
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-4 0 1 3451.13 3371.04 59.91 o
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4 3 1 40.72 33.28 13.68 o
5 3 1 11.49 19.01 11.23 o
6 3 1 412.31 358.84 16.68 o
7 3 1 3.51 15.15 17.69 o
8 3 1 58.02 38.35 17.09 o
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10 3 1 106.19 -2.31 52.40 o
-7 4 1 5.17 24.50 33.12 o
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11 4 1 5.02 -48.93 59.18 o
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